>compound 4-Coumaric acid_4-Coumaric acid
#instrument UPLC Q-Tof Premier, Waters
>formula C9H8O3
#smiles OC(=O)C=Cc(c1)ccc(O)c1
#RECORD LC-ESI-QTOF_train_data/PR100685.txt;LC-ESI-QTOF_train_data/PR100261.txt;LC-ESI-QTOF_train_data/PR100894.txt;LC-ESI-QTOF_train_data/PR100895.txt
>charge -1
>ionization [M-H]-
>parentmass 163.03954

>collision 5-60
93.0354 277.9
119.0495 5053.0
119.3241 261.3
163.0395 934.2

>collision 5-60
65.0396 40.29
77.0391 12.72
91.0544 289.3
119.0497 307.6
147.0438 599.1
165.0551 24.3

>collision 5-60
101.0121 4.298
118.9791 4.32
145.8717 196.0
162.8717 415.0
163.0395 5.227

>collision 30
145.9019 149.3
162.9058 14.73

